Enediyne dimerization vs Bergman cyclization
High-level quantum chemical calculations reveal that the dimerization of enediynes to 1,3-butadiene-1,4-diyl diradicals is energetically more favored than the corresponding Bergman cyclization of enediynes. Moreover, the activation barrier of both reactions can be drastically reduced by the introduc...
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| Main Authors: | , , |
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| Format: | Article (Journal) |
| Language: | English |
| Published: |
March 10, 2015
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| In: |
Organic letters
Year: 2015, Volume: 17, Issue: 6, Pages: 1425-1428 |
| ISSN: | 1523-7052 |
| Online Access: | Verlag, lizenzpflichtig, Volltext: https://pubs.acs.org/doi/10.1021/acs.orglett.5b00296
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| Author Notes: | Gebhard Haberhauer, Rolf Gleiter, and Sven Fabig |
MARC
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| 520 | |a High-level quantum chemical calculations reveal that the dimerization of enediynes to 1,3-butadiene-1,4-diyl diradicals is energetically more favored than the corresponding Bergman cyclization of enediynes. Moreover, the activation barrier of both reactions can be drastically reduced by the introduction of electronwithdrawing substituents like fluoro groups at the reacting carbon centers of the triple bonds. | ||
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